2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid

C17H25NO3 — CID 43437606

IUPAC2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid
SMILESCCCN(C(=O)CC(C)(C(=O)O)c1ccccc1)C(C)C
InChIInChI=1S/C17H25NO3/c1-5-11-18(13(2)3)15(19)12-17(4,16(20)21)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,20,21)
InChIKeyUVBZDPSBHHQSRO-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.07
Rot. Bonds7

About 2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid

2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid (PubChem CID 43437606) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid
PubChem CID43437606
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid
SMILESCCCN(C(=O)CC(C)(C(=O)O)c1ccccc1)C(C)C
InChIInChI=1S/C17H25NO3/c1-5-11-18(13(2)3)15(19)12-17(4,16(20)21)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,20,21)
InChIKeyUVBZDPSBHHQSRO-UHFFFAOYSA-N
XLogP3.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[butan-2-yl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437636
4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437610
2-methyl-4-[methyl(3-methylbutyl)amino]-4-oxo-2-phenylbutanoic acid
CID 60948204
2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid
CID 43437622
2-methyl-4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 115985474
4-[1-cyanopropan-2-yl(methyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 63223027
4-[cyclopropyl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437578
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272876
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
4-(ethoxyamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 64974001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid?
The IUPAC name of 2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid (CID 43437606) is 2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid is CCCN(C(=O)CC(C)(C(=O)O)c1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid?
The InChIKey is UVBZDPSBHHQSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-11-18(13(2)3)15(19)12-17(4,16(20)21)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,20,21).
What are the key properties of 2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid?
2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid is sourced from PubChem (CID 43437606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).